Discussions

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  How to get the force RMSE for different committee sizes ?

  YuliangS asked Apr 25, 2024 in Q&A · Closed · Answered

  

  

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  Does AML read frames from N2P2 datasets?

  lizhiqiang100 asked Mar 4, 2024 in Q&A · Closed · Answered

  

  

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  How to customize SYMMETRY FUNCTIONS ?

  wangjiuning123 asked Nov 28, 2023 in Q&A · Closed · Answered

  

  

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  Error in 02-QbC for water sytem

  sahideep asked Nov 20, 2023 in Q&A · Closed · Answered

  

  

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  Problem in mlps.run_rmse_test

  YuliangS asked Nov 2, 2023 in Q&A · Closed · Answered

  

  

  

  

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  Problem in running the example

  YuliangS asked Nov 1, 2023 in Q&A · Closed · Unanswered

  

  

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  Problem in running the example zundel

  wangjiuning123 asked Oct 16, 2023 in Q&A · Closed · Answered

  

  

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  How to submit job using slurm when I use aml package?

  tbhu4566 asked Aug 11, 2023 in Q&A · Closed · Unanswered

  

  

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  Problem in running Zundel example

  rajorshichat asked Dec 6, 2021 in Q&A · Closed · Answered

  

  

  

  

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  Transferability of potentials on different periodic cells

  cedenoruel asked Nov 11, 2022 in Q&A · Closed · Answered

  

  

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  Using cNNP + D3 for geometry optimization in CP2K

  haphysix asked Oct 31, 2022 in Q&A · Closed · Unanswered

  

  

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  Exception: No weights file found for element: O

  ZengZezhu asked Aug 29, 2022 in Q&A · Closed · Answered

  

  

  

  

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  MD simulation with NNP potential

  marzieh-saeedimasine started Aug 22, 2022 in General · Closed

  

  

  

  

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  apply from-trajectroy-to-model approach to ZnO-water system

  marzieh-saeedimasine asked Aug 5, 2022 in Q&A · Closed · Unanswered

  

  

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  More flexibility in ACSFs generation

  soniasalomoni started Apr 1, 2022 in General · Closed

  

  

  

  

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  Low force score

  semoday asked Mar 15, 2022 in Q&A · Closed · Unanswered

  

  

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  Problem in running 02-QbC code in example

  semoday asked Feb 18, 2022 in Q&A · Closed · Answered

  

  

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  Running the code in HPCs

  ezpzbz started Feb 21, 2022 in General · Closed

  

  

  

  

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  possible inconsistency in units of cell and positions

  gabriele16 asked Feb 22, 2022 in Q&A · Closed · Answered

  

  

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  Continuing Incomplete Jobs

  omorrison1 asked Nov 8, 2021 in Q&A · Closed · Answered

  

  

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  The energy and force values won't update

  mozhde asked Oct 5, 2021 in Q&A · Closed · Answered

  

  

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